4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine

C16H14FN3O — CID 104786790

IUPAC4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2cncc(F)c2)cc1C
InChIInChI=1S/C16H14FN3O/c1-9-3-4-11(5-10(9)2)14-15(21-20-16(14)18)12-6-13(17)8-19-7-12/h3-8H,1-2H3,(H2,18,20)
InChIKeyXDTHWABCKYMANI-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.74
Rot. Bonds2

About 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine

4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine (PubChem CID 104786790) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
PubChem CID104786790
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2-c2cncc(F)c2)cc1C
InChIInChI=1S/C16H14FN3O/c1-9-3-4-11(5-10(9)2)14-15(21-20-16(14)18)12-6-13(17)8-19-7-12/h3-8H,1-2H3,(H2,18,20)
InChIKeyXDTHWABCKYMANI-UHFFFAOYSA-N
XLogP3.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dichlorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786779
4-(2-fluorophenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine
CID 104786774
4-(3,4-dimethylphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66201499
4-(3,4-dimethylphenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
CID 66201310
4-(3,4-dimethylphenyl)-5-(2-methylphenyl)-1,2-oxazol-3-amine
CID 66201119
5-(3,4-dimethylphenyl)-4-(2-fluorophenyl)-1,2-oxazol-3-amine
CID 66200765
5-(2,5-dimethylfuran-3-yl)-4-(3,4-dimethylphenyl)-1,2-oxazol-3-amine
CID 66202854
5-(5-fluoro-2-methylphenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66197977
5-(3-chloro-4-methylphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524169
5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198579
5-(3-methoxy-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525603
5-(5-fluoro-3-pyridinyl)-3-methylpyridin-2-amine
CID 83171111

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine (CID 104786790) is 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2-c2cncc(F)c2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine?
The InChIKey is XDTHWABCKYMANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-9-3-4-11(5-10(9)2)14-15(21-20-16(14)18)12-6-13(17)8-19-7-12/h3-8H,1-2H3,(H2,18,20).
What are the key properties of 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine?
4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine has a molecular weight of 283.31 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5-(5-fluoro-3-pyridinyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 104786790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).